2-[(2R,3S,5R)-3-[2-[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-[[bis(4-methoxyphenyl)-phenyl-methyl]sulfanylmethyl]oxolan-2-yl]ethylsulfanylmethyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl methanesulfonate

Systemtic Name: 2-[(2R,3S,5R)-3-[2-[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-3-[[bis(4-methoxyphenyl)-phenyl-methyl]sulfanylmethyl]oxolan-2-yl]ethylsulfanylmethyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]ethyl methanesulfonate Openeye Name: 2-[(2R,3S,5R)-3-[2-[(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-3-[[bis(4-methoxyphenyl)-phenyl-methyl]sulfanylmethyl]tetrahydrofuran-2-yl]ethylsulfanylmethyl]-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[(2R,3S,5R)-3-[[2-[(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-3-[[[bis(4-methoxyphenyl)-phenylmethyl]thio]methyl]-2-oxolanyl]ethylthio]methyl]-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]ethyl ester IUPAC Name: 2-[(2R,3S,5R)-3-[2-[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-[[bis(4-methoxyphenyl)-phenylmethyl]sulfanylmethyl]oxolan-2-yl]ethylsulfanylmethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(2R,3S,5R)-3-[[2-[(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-3-[[[bis(4-methoxyphenyl)-phenyl-methyl]thio]methyl]tetrahydrofuran-2-yl]ethylthio]methyl]-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl ester Formula: C51H55N5O11S3 MolecularWeight: 1010.2043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SCC4CC(OC4CCSCC5CC(OC5CCOS(=O)(=O)C)N6C=CC(=O)NC6=O)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SC[C@H]4C[C@@H](O[C@@H]4CCSC[C@H]5C[C@@H](O[C@@H]5CCOS(=O)(=O)C)N6C=CC(=O)NC6=O)N7C=CC(=NC7=O)NC(=O)C8=CC=CC=C8

InChI

InChI=1S/C51H55N5O11S3/c1-63-40-18-14-38(15-19-40)51(37-12-8-5-9-13-37,39-16-20-41(64-2)21-17-39)69-33-36-31-47(55-26-22-44(53-49(55)59)52-48(58)34-10-6-4-7-11-34)67-43(36)25-29-68-32-35-30-46(56-27-23-45(57)54-50(56)60)66-42(35)24-28-65-70(3,61)62/h4-23,26-27,35-36,42-43,46-47H,24-25,28-33H2,1-3H3,(H,54,57,60)(H,52,53,58,59)/t35-,36-,42-,43-,46-,47-/m1/s1